graphkit-learn/datasets/Alkane/molecule044.ct

molecule043.ct
9 8
   -2.0490    1.1250    0.0000 C
   -0.5490    1.1250    0.0000 C
   -0.5490   -0.3750    0.0000 C
    0.7500   -1.1250    0.0000 C
    2.0490   -0.3750    0.0000 C
   -1.8481   -1.1250    0.0000 C
   -1.8481   -2.6250    0.0000 C
   -0.5490    2.6250    0.0000 C
    0.9510    1.1250    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
6 7  1  1
3 6  1  1
2 8  1  1
2 9  1  1